CAS No.: 121-60-8 — N-Acetylsulfanilyl chloride (对乙酰胺基苯磺酰氯)

1. Primary Information

English name:	N-Acetylsulfanilyl chloride
CAS No.:	121-60-8
Molecular formula:	C₈H₈ClNO₃S
Molecular weight:	233.67 g/mol
SMILES:	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
Structural class:
Other identifiers:	4-AAB-SC cpd 4-acetamidobenzene sulfonyl chloride

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	176	2-8℃	in stock	-
Kehua Intelligence	25g	BR，98%	40	2-8℃	in stock	-
Kehua Intelligence	100g	BR，98%	96	2-8℃	in stock	-
Kehua Intelligence	500g	BR，98%	360	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 22 0 0 0 0 0 0 0999 V2000 3.7089 0.3034 -1.8026 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 0.1752 0.1787 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 -1.0279 0.6781 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5034 1.4871 0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5408 1.4993 0.0031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6539 -0.6847 -0.0359 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -0.0782 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -0.4826 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 1.0152 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9712 -1.3740 0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 0.8131 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4081 -1.5762 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 0.2800 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0388 -0.3498 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9981 2.0324 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6272 -2.2399 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3673 1.7080 0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 -2.5913 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9489 -1.6581 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1417 -0.9155 -1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8066 0.4283 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1797 -1.0196 0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-acetamidobenzenesulfonyl chloride

4.2 InChI

InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)

4.3 InChIKey

GRDXCFKBQWDAJH-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)